[(4S)-2,2-dimethyloxan-4-yl]-[(3R)-3-methyl-3-(phenylmethyl)-4-thiophen-2-yl-butyl]azanium

Systemtic Name: [(4S)-2,2-dimethyloxan-4-yl]-[(3R)-3-methyl-3-(phenylmethyl)-4-thiophen-2-yl-butyl]azanium Openeye Name: [(3R)-3-benzyl-3-methyl-4-(2-thienyl)butyl]-[(4S)-2,2-dimethyltetrahydropyran-4-yl]ammonium CAS Name: [(4S)-2,2-dimethyl-4-oxanyl]-[(3R)-3-methyl-3-(phenylmethyl)-4-thiophen-2-ylbutyl]ammonium IUPAC Name: [(3R)-3-benzyl-3-methyl-4-thiophen-2-ylbutyl]-[(4S)-2,2-dimethyloxan-4-yl]azanium Traditional Name: [(3R)-3-benzyl-3-methyl-4-(2-thienyl)butyl]-[(4S)-2,2-dimethyltetrahydropyran-4-yl]ammonium Formula: C23H34NOS+ MolecularWeight: 372.58716

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(CCO1)[NH2+]CCC(C)(CC2=CC=CC=C2)CC3=CC=CS3)C

Isomeric SMILES

CC1(C[C@H](CCO1)[NH2+]CC[C@@](C)(CC2=CC=CC=C2)CC3=CC=CS3)C

InChI

InChI=1S/C23H33NOS/c1-22(2)17-20(11-14-25-22)24-13-12-23(3,18-21-10-7-15-26-21)16-19-8-5-4-6-9-19/h4-10,15,20,24H,11-14,16-18H2,1-3H3/p+1/t20-,23-/m0/s1